Detailed information for compound 1436251

Basic information

Technical information
  • TDR Targets ID: 1436251
  • Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4 -acetamidophenyl)sulfonylamino]acetate
  • MW: 474.53 | Formula: C22H26N4O6S
  • H donors: 2 H acceptors: 5 LogP: 1.11 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C22H26N4O6S/c1-17(27)24-18-7-9-20(10-8-18)33(30,31)23-15-22(29)32-16-21(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-10,23H,11-16H2,1H3,(H,24,27)
  • InChiKey: PSHPUHPVHORZAN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester
  • 2-[(4-acetamidophenyl)sulfonylamino]acetic acid [2-keto-2-(4-phenylpiperazin-1-yl)ethyl] ester
  • [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]ethanoate
  • SMR000242558
  • T5211359
  • MLS000417304

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0086 0.0972 0.0972
Schistosoma mansoni neuropeptide receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptide receptor 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine (5HT) receptor 0.0086 0.0972 0.0972
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0086 0.0972 0.0972
Echinococcus multilocularis g protein coupled receptor 0.0086 0.0972 0.0972
Schistosoma mansoni amine GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni nuclear hormone receptor 0.0115 0.3211 0.3211
Schistosoma mansoni hypothetical protein 0.0086 0.0972 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptide Y receptor 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus multilocularis neuropeptide receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis sex peptide receptor 0.0086 0.0972 0.0972
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0115 0.3211 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptide s receptor 0.0086 0.0972 0.0972
Echinococcus granulosus alpha 1A adrenergic receptor 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.3211 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor-like 1 0.0115 0.3211 1
Echinococcus multilocularis fmrfamide receptor 0.0086 0.0972 0.0972
Echinococcus granulosus G protein coupled receptor 139 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0115 0.3211 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0115 0.3211 1
Echinococcus multilocularis g protein coupled receptor 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0115 0.3211 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0115 0.3211 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0115 0.3211 0.3211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0115 0.3211 0.3211
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0115 0.3211 0.3211
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptide receptor A26 0.0086 0.0972 0.0972
Schistosoma mansoni coup transcription factor 0.0115 0.3211 0.3211
Echinococcus multilocularis neuropeptide receptor A26 0.0086 0.0972 0.0972
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0115 0.3211 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0086 0.0972 0.0972
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Echinococcus multilocularis somatostatin receptor 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptides capa receptor 0.0086 0.0972 0.0972
Brugia malayi nuclear receptor NHR-88 0.0115 0.3211 1
Echinococcus granulosus tm gpcr rhodopsin 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptide receptor 0.0086 0.0972 0.0972
Schistosoma mansoni amine GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus granulosus FTZ F1 alpha 0.0115 0.3211 0.3211
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.3211 1
Schistosoma mansoni neuropeptide F-like receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0086 0.0972 0.0972
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0115 0.3211 0.3211
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni opsin-like receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis serotonin receptor 0.0086 0.0972 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0115 0.3211 0.3211
Echinococcus multilocularis G-protein coupled receptor, putative 0.0086 0.0972 0.0972
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0086 0.0972 0.0972
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0086 0.0972 0.0972
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.3211 0.3211
Schistosoma mansoni neuropeptide receptor 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0115 0.3211 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0115 0.3211 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0086 0.0972 0.0972
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0115 0.3211 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0086 0.0972 0.0972
Onchocerca volvulus Bile acid receptor homolog 0.0115 0.3211 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0115 0.3211 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.3211 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0115 0.3211 0.3211
Echinococcus multilocularis ecdysone induced protein 78C 0.0115 0.3211 0.3211
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0115 0.3211 1
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni amine GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni opsin-like receptor 0.0086 0.0972 0.0972
Schistosoma mansoni histamine h1 receptor 0.0086 0.0972 0.0972
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0086 0.0972 0.0972
Brugia malayi nuclear hormone receptor 0.0115 0.3211 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni amine GPCR 0.0086 0.0972 0.0972
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0115 0.3211 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0115 0.3211 0.3211
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0086 0.0972 0.0972
Echinococcus granulosus orexin receptor type 2 0.0086 0.0972 0.0972
Schistosoma mansoni RAR-like nuclear receptor 0.0115 0.3211 0.3211
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Echinococcus granulosus serotonin receptor 0.0086 0.0972 0.0972
Schistosoma mansoni neuropeptide receptor 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine receptor 0.0086 0.0972 0.0972
Echinococcus granulosus sex peptide receptor 0.0086 0.0972 0.0972
Schistosoma mansoni thyroid hormone receptor 0.0115 0.3211 0.3211
Echinococcus multilocularis allatostatin A receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Echinococcus multilocularis g protein coupled receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis fmrfamide receptor 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus multilocularis serotonin receptor 0.0086 0.0972 0.0972
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Brugia malayi steroid hormone receptor 0.0115 0.3211 1
Echinococcus granulosus allatostatin A receptor 0.0086 0.0972 0.0972
Echinococcus granulosus 7TM GPCR rhodopsin 0.0086 0.0972 0.0972
Echinococcus granulosus fmrfamide receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0086 0.0972 0.0972
Brugia malayi photoreceptor-specific nuclear receptor 0.0115 0.3211 1
Echinococcus multilocularis orexin receptor type 2 0.0086 0.0972 0.0972
Schistosoma mansoni adenoreceptor 0.0086 0.0972 0.0972
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptide Y receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0086 0.0972 0.0972
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus g-protein coupled receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0115 0.3211 0.3211
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus granulosus neuropeptide Y receptor 0.0086 0.0972 0.0972
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0115 0.3211 0.3211
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis G protein coupled receptor 139 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0086 0.0972 0.0972
Loa Loa (eye worm) steroid hormone receptor 0.0115 0.3211 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptide Y receptor 0.0086 0.0972 0.0972
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0086 0.0972 0.0972
Schistosoma mansoni alpha-1 adrenergic receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine receptor 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine (5HT) receptor 0.0086 0.0972 0.0972
Onchocerca volvulus 0.0115 0.3211 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Onchocerca volvulus Protein ultraspiracle homolog 0.0115 0.3211 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0115 0.3211 1
Schistosoma mansoni neuropeptide F-like receptor 0.0086 0.0972 0.0972
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.3211 0.3211
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0115 0.3211 0.3211
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0086 0.0972 0.0972
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0115 0.3211 0.3211
Echinococcus granulosus g protein coupled receptor 0.0086 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Schistosoma mansoni thyroid hormone receptor 0.0115 0.3211 0.3211
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0115 0.3211 0.3211
Schistosoma mansoni hypothetical protein 0.0086 0.0972 0.0972
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0086 0.0972 0.0972
Echinococcus granulosus g protein coupled receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis dro:myosuppressin receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0115 0.3211 0.3211
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Brugia malayi Steroid receptor seven-up type 2 0.0115 0.3211 1
Echinococcus granulosus g protein coupled receptor 0.0086 0.0972 0.0972
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0115 0.3211 0.3211
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptide receptor 0.0086 0.0972 0.0972
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptides capa receptor 0.0086 0.0972 0.0972
Echinococcus granulosus biogenic amine 5HT receptor 0.0086 0.0972 0.0972
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0115 0.3211 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Echinococcus granulosus peptide allatostatin:somatostatin 0.0086 0.0972 0.0972
Schistosoma mansoni myosin xvIII 0.0086 0.0972 0.0972
Echinococcus granulosus tm gpcr rhodopsin 0.0086 0.0972 0.0972
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0115 0.3211 0.3211
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0115 0.3211 1
Echinococcus multilocularis g-protein coupled receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni neuropeptide f receptor 76f 0.0086 0.0972 0.0972
Echinococcus multilocularis FTZ F1 alpha 0.0115 0.3211 0.3211
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0086 0.0972 0.0972
Echinococcus granulosus tm gpcr rhodopsin 0.0086 0.0972 0.0972
Schistosoma mansoni amine GPCR 0.0086 0.0972 0.0972
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0086 0.0972 0.0972
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0115 0.3211 0.3211
Schistosoma mansoni growth hormone secretagogue receptor 0.0086 0.0972 0.0972
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0115 0.3211 0.3211
Echinococcus granulosus dro:myosuppressin receptor 0.0086 0.0972 0.0972
Echinococcus granulosus ecdysone induced protein 78C 0.0115 0.3211 0.3211
Echinococcus granulosus biogenic amine 5HT receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis neuropeptide FF receptor 2 0.0086 0.0972 0.0972
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0086 0.0972 0.0972
Schistosoma mansoni opsin-like receptor 0.0086 0.0972 0.0972
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0115 0.3211 0.3211
Loa Loa (eye worm) hypothetical protein 0.0115 0.3211 1
Schistosoma mansoni hypothetical protein 0.0086 0.0972 0.0972
Schistosoma mansoni retinoic acid receptor RXR 0.0115 0.3211 0.3211
Echinococcus granulosus neuropeptides capa receptor 0.0086 0.0972 0.0972
Echinococcus granulosus rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni hypothetical protein 0.0086 0.0972 0.0972
Echinococcus granulosus hypothetical protein 0.0086 0.0972 0.0972
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0115 0.3211 0.3211
Brugia malayi ecdysteroid receptor 0.0115 0.3211 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0086 0.0972 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0115 0.3211 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0115 0.3211 1
Echinococcus granulosus neuropeptide s receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0086 0.0972 0.0972
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0086 0.0972 0.0972
Echinococcus multilocularis rhodopsin orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Echinococcus granulosus somatostatin receptor 0.0086 0.0972 0.0972
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0086 0.0972 0.0972
Schistosoma mansoni neuropeptide receptor 0.0086 0.0972 0.0972
Echinococcus granulosus neuropeptide FF receptor 2 0.0086 0.0972 0.0972
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0115 0.3211 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 7.3078 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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